1-[(2S)-4-[4-[2-fluoro-5-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)anilino]pyrimido[5,4-d]pyrimidin-6-yl]-2-methyl-3,6-dihydro-2H-pyridin-1-yl]prop-2-en-1-one;1-[4-[4-(4-imidazo[1,2-a]pyridin-7-yloxy-3-methylanilino)pyrido[3,2-d]pyrimidin-6-yl]-3,6-dihydro-2H-pyridin-1-yl]prop-2-en-1-one;1-[4-[7-methoxy-4-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)anilino]pyrido[3,2-d]pyrimidin-6-yl]-3,6-dihydro-2H-pyridin-1-yl]prop-2-en-1-one;1-[4-[4-[3-methyl-4-(1-methylindol-6-yl)oxyanilino]pyrido[3,2-d]pyrimidin-6-yl]-3,6-dihydro-2H-pyridin-1-yl]prop-2-en-1-one

C117H103FN30O9 — CID 167633056

About 1-[(2S)-4-[4-[2-fluoro-5-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)anilino]pyrimido[5,4-d]pyrimidin-6-yl]-2-methyl-3,6-dihydro-2H-pyridin-1-yl]prop-2-en-1-one;1-[4-[4-(4-imidazo[1,2-a]pyridin-7-yloxy-3-methylanilino)pyrido[3,2-d]pyrimidin-6-yl]-3,6-dihydro-2H-pyridin-1-yl]prop-2-en-1-one;1-[4-[7-methoxy-4-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)anilino]pyrido[3,2-d]pyrimidin-6-yl]-3,6-dihydro-2H-pyridin-1-yl]prop-2-en-1-one;1-[4-[4-[3-methyl-4-(1-methylindol-6-yl)oxyanilino]pyrido[3,2-d]pyrimidin-6-yl]-3,6-dihydro-2H-pyridin-1-yl]prop-2-en-1-one

1-[(2S)-4-[4-[2-fluoro-5-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)anilino]pyrimido[5,4-d]pyrimidin-6-yl]-2-methyl-3,6-dihydro-2H-pyridin-1-yl]prop-2-en-1-one;1-[4-[4-(4-imidazo[1,2-a]pyridin-7-yloxy-3-methylanilino)pyrido[3,2-d]pyrimidin-6-yl]-3,6-dihydro-2H-pyridin-1-yl]prop-2-en-1-one;1-[4-[7-methoxy-4-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)anilino]pyrido[3,2-d]pyrimidin-6-yl]-3,6-dihydro-2H-pyridin-1-yl]prop-2-en-1-one;1-[4-[4-[3-methyl-4-(1-methylindol-6-yl)oxyanilino]pyrido[3,2-d]pyrimidin-6-yl]-3,6-dihydro-2H-pyridin-1-yl]prop-2-en-1-one (PubChem CID 167633056) has the molecular formula C117H103FN30O9 and a molecular weight of 2092.31 g/mol. Its IUPAC name is 1-[(2S)-4-[4-[2-fluoro-5-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)anilino]pyrimido[5,4-d]pyrimidin-6-yl]-2-methyl-3,6-dihydro-2H-pyridin-1-yl]prop-2-en-1-one;1-[4-[4-(4-imidazo[1,2-a]pyridin-7-yloxy-3-methylanilino)pyrido[3,2-d]pyrimidin-6-yl]-3,6-dihydro-2H-pyridin-1-yl]prop-2-en-1-one;1-[4-[7-methoxy-4-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)anilino]pyrido[3,2-d]pyrimidin-6-yl]-3,6-dihydro-2H-pyridin-1-yl]prop-2-en-1-one;1-[4-[4-[3-methyl-4-(1-methylindol-6-yl)oxyanilino]pyrido[3,2-d]pyrimidin-6-yl]-3,6-dihydro-2H-pyridin-1-yl]prop-2-en-1-one.

Molecular Properties

• Compound Name: 1-[(2S)-4-[4-[2-fluoro-5-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)anilino]pyrimido[5,4-d]pyrimidin-6-yl]-2-methyl-3,6-dihydro-2H-pyridin-1-yl]prop-2-en-1-one;1-[4-[4-(4-imidazo[1,2-a]pyridin-7-yloxy-3-methylanilino)pyrido[3,2-d]pyrimidin-6-yl]-3,6-dihydro-2H-pyridin-1-yl]prop-2-en-1-one;1-[4-[7-methoxy-4-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)anilino]pyrido[3,2-d]pyrimidin-6-yl]-3,6-dihydro-2H-pyridin-1-yl]prop-2-en-1-one;1-[4-[4-[3-methyl-4-(1-methylindol-6-yl)oxyanilino]pyrido[3,2-d]pyrimidin-6-yl]-3,6-dihydro-2H-pyridin-1-yl]prop-2-en-1-one
• PubChem CID: 167633056
• Molecular Formula: C117H103FN30O9
• Molecular Weight: 2092.31 g/mol
• Exact Mass: 2090.85
• IUPAC Name: 1-[(2S)-4-[4-[2-fluoro-5-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)anilino]pyrimido[5,4-d]pyrimidin-6-yl]-2-methyl-3,6-dihydro-2H-pyridin-1-yl]prop-2-en-1-one;1-[4-[4-(4-imidazo[1,2-a]pyridin-7-yloxy-3-methylanilino)pyrido[3,2-d]pyrimidin-6-yl]-3,6-dihydro-2H-pyridin-1-yl]prop-2-en-1-one;1-[4-[7-methoxy-4-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)anilino]pyrido[3,2-d]pyrimidin-6-yl]-3,6-dihydro-2H-pyridin-1-yl]prop-2-en-1-one;1-[4-[4-[3-methyl-4-(1-methylindol-6-yl)oxyanilino]pyrido[3,2-d]pyrimidin-6-yl]-3,6-dihydro-2H-pyridin-1-yl]prop-2-en-1-one
• SMILES: C=CC(=O)N1CC=C(c2ccc3ncnc(Nc4ccc(Oc5ccc6ccn(C)c6c5)c(C)c4)c3n2)CC1.C=CC(=O)N1CC=C(c2ccc3ncnc(Nc4ccc(Oc5ccn6ccnc6c5)c(C)c4)c3n2)CC1.C=CC(=O)N1CC=C(c2nc3c(Nc4ccc(Oc5ccn6ncnc6c5)c(C)c4)ncnc3cc2OC)CC1.C=CC(=O)N1CC=C(c2ncc3ncnc(Nc4cc(C)c(Oc5ccn6ncnc6c5)cc4F)c3n2)C[C@@H]1C
• InChI: InChI=1S/C31H28N6O2.C29H26N8O3.C29H25N7O2.C28H24FN9O2/c1-4-29(38)37-15-12-21(13-16-37)25-8-9-26-30(35-25)31(33-19-32-26)34-23-6-10-28(20(2)17-23)39-24-7-5-22-11-14-36(3)27(22)18-24;1-4-26(38)36-10-7-19(8-11-36)27-24(39-3)15-22-28(35-27)29(32-16-30-22)34-20-5-6-23(18(2)13-20)40-21-9-12-37-25(14-21)31-17-33-37;1-3-27(37)36-12-8-20(9-13-36)23-5-6-24-28(34-23)29(32-18-31-24)33-21-4-7-25(19(2)16-21)38-22-10-14-35-15-11-30-26(35)17-22;1-4-25(39)37-7-5-18(10-17(37)3)27-30-13-22-26(36-27)28(33-14-31-22)35-21-9-16(2)23(12-20(21)29)40-19-6-8-38-24(11-19)32-15-34-38/h4-12,14,17-19H,1,13,15-16H2,2-3H3,(H,32,33,34);4-7,9,12-17H,1,8,10-11H2,2-3H3,(H,30,32,34);3-8,10-11,14-18H,1,9,12-13H2,2H3,(H,31,32,33);4-6,8-9,11-15,17H,1,7,10H2,2-3H3,(H,31,33,35)/t;;;17-/m...0/s1
• InChIKey: OBUIAEZQYXJEBL-NJYUFCOESA-N
• XLogP: 20.84
• TPSA: 425.69 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 35
• Rotatable Bonds: 25
• Heavy Atoms: 157
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2092.31
LogP ≤ 5	20.84
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	35

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-4-[4-[2-fluoro-5-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)anilino]pyrimido[5,4-d]pyrimidin-6-yl]-2-methyl-3,6-dihydro-2H-pyridin-1-yl]prop-2-en-1-one;1-[4-[4-(4-imidazo[1,2-a]pyridin-7-yloxy-3-methylanilino)pyrido[3,2-d]pyrimidin-6-yl]-3,6-dihydro-2H-pyridin-1-yl]prop-2-en-1-one;1-[4-[7-methoxy-4-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)anilino]pyrido[3,2-d]pyrimidin-6-yl]-3,6-dihydro-2H-pyridin-1-yl]prop-2-en-1-one;1-[4-[4-[3-methyl-4-(1-methylindol-6-yl)oxyanilino]pyrido[3,2-d]pyrimidin-6-yl]-3,6-dihydro-2H-pyridin-1-yl]prop-2-en-1-one?

The IUPAC name of 1-[(2S)-4-[4-[2-fluoro-5-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)anilino]pyrimido[5,4-d]pyrimidin-6-yl]-2-methyl-3,6-dihydro-2H-pyridin-1-yl]prop-2-en-1-one;1-[4-[4-(4-imidazo[1,2-a]pyridin-7-yloxy-3-methylanilino)pyrido[3,2-d]pyrimidin-6-yl]-3,6-dihydro-2H-pyridin-1-yl]prop-2-en-1-one;1-[4-[7-methoxy-4-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)anilino]pyrido[3,2-d]pyrimidin-6-yl]-3,6-dihydro-2H-pyridin-1-yl]prop-2-en-1-one;1-[4-[4-[3-methyl-4-(1-methylindol-6-yl)oxyanilino]pyrido[3,2-d]pyrimidin-6-yl]-3,6-dihydro-2H-pyridin-1-yl]prop-2-en-1-one (CID 167633056) is 1-[(2S)-4-[4-[2-fluoro-5-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)anilino]pyrimido[5,4-d]pyrimidin-6-yl]-2-methyl-3,6-dihydro-2H-pyridin-1-yl]prop-2-en-1-one;1-[4-[4-(4-imidazo[1,2-a]pyridin-7-yloxy-3-methylanilino)pyrido[3,2-d]pyrimidin-6-yl]-3,6-dihydro-2H-pyridin-1-yl]prop-2-en-1-one;1-[4-[7-methoxy-4-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)anilino]pyrido[3,2-d]pyrimidin-6-yl]-3,6-dihydro-2H-pyridin-1-yl]prop-2-en-1-one;1-[4-[4-[3-methyl-4-(1-methylindol-6-yl)oxyanilino]pyrido[3,2-d]pyrimidin-6-yl]-3,6-dihydro-2H-pyridin-1-yl]prop-2-en-1-one.

What is the SMILES notation for 1-[(2S)-4-[4-[2-fluoro-5-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)anilino]pyrimido[5,4-d]pyrimidin-6-yl]-2-methyl-3,6-dihydro-2H-pyridin-1-yl]prop-2-en-1-one;1-[4-[4-(4-imidazo[1,2-a]pyridin-7-yloxy-3-methylanilino)pyrido[3,2-d]pyrimidin-6-yl]-3,6-dihydro-2H-pyridin-1-yl]prop-2-en-1-one;1-[4-[7-methoxy-4-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)anilino]pyrido[3,2-d]pyrimidin-6-yl]-3,6-dihydro-2H-pyridin-1-yl]prop-2-en-1-one;1-[4-[4-[3-methyl-4-(1-methylindol-6-yl)oxyanilino]pyrido[3,2-d]pyrimidin-6-yl]-3,6-dihydro-2H-pyridin-1-yl]prop-2-en-1-one?

The canonical SMILES for 1-[(2S)-4-[4-[2-fluoro-5-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)anilino]pyrimido[5,4-d]pyrimidin-6-yl]-2-methyl-3,6-dihydro-2H-pyridin-1-yl]prop-2-en-1-one;1-[4-[4-(4-imidazo[1,2-a]pyridin-7-yloxy-3-methylanilino)pyrido[3,2-d]pyrimidin-6-yl]-3,6-dihydro-2H-pyridin-1-yl]prop-2-en-1-one;1-[4-[7-methoxy-4-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)anilino]pyrido[3,2-d]pyrimidin-6-yl]-3,6-dihydro-2H-pyridin-1-yl]prop-2-en-1-one;1-[4-[4-[3-methyl-4-(1-methylindol-6-yl)oxyanilino]pyrido[3,2-d]pyrimidin-6-yl]-3,6-dihydro-2H-pyridin-1-yl]prop-2-en-1-one is C=CC(=O)N1CC=C(c2ccc3ncnc(Nc4ccc(Oc5ccc6ccn(C)c6c5)c(C)c4)c3n2)CC1.C=CC(=O)N1CC=C(c2ccc3ncnc(Nc4ccc(Oc5ccn6ccnc6c5)c(C)c4)c3n2)CC1.C=CC(=O)N1CC=C(c2nc3c(Nc4ccc(Oc5ccn6ncnc6c5)c(C)c4)ncnc3cc2OC)CC1.C=CC(=O)N1CC=C(c2ncc3ncnc(Nc4cc(C)c(Oc5ccn6ncnc6c5)cc4F)c3n2)C[C@@H]1C.

What is the InChIKey of 1-[(2S)-4-[4-[2-fluoro-5-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)anilino]pyrimido[5,4-d]pyrimidin-6-yl]-2-methyl-3,6-dihydro-2H-pyridin-1-yl]prop-2-en-1-one;1-[4-[4-(4-imidazo[1,2-a]pyridin-7-yloxy-3-methylanilino)pyrido[3,2-d]pyrimidin-6-yl]-3,6-dihydro-2H-pyridin-1-yl]prop-2-en-1-one;1-[4-[7-methoxy-4-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)anilino]pyrido[3,2-d]pyrimidin-6-yl]-3,6-dihydro-2H-pyridin-1-yl]prop-2-en-1-one;1-[4-[4-[3-methyl-4-(1-methylindol-6-yl)oxyanilino]pyrido[3,2-d]pyrimidin-6-yl]-3,6-dihydro-2H-pyridin-1-yl]prop-2-en-1-one?

The InChIKey is OBUIAEZQYXJEBL-NJYUFCOESA-N. The full InChI is InChI=1S/C31H28N6O2.C29H26N8O3.C29H25N7O2.C28H24FN9O2/c1-4-29(38)37-15-12-21(13-16-37)25-8-9-26-30(35-25)31(33-19-32-26)34-23-6-10-28(20(2)17-23)39-24-7-5-22-11-14-36(3)27(22)18-24;1-4-26(38)36-10-7-19(8-11-36)27-24(39-3)15-22-28(35-27)29(32-16-30-22)34-20-5-6-23(18(2)13-20)40-21-9-12-37-25(14-21)31-17-33-37;1-3-27(37)36-12-8-20(9-13-36)23-5-6-24-28(34-23)29(32-18-31-24)33-21-4-7-25(19(2)16-21)38-22-10-14-35-15-11-30-26(35)17-22;1-4-25(39)37-7-5-18(10-17(37)3)27-30-13-22-26(36-27)28(33-14-31-22)35-21-9-16(2)23(12-20(21)29)40-19-6-8-38-24(11-19)32-15-34-38/h4-12,14,17-19H,1,13,15-16H2,2-3H3,(H,32,33,34);4-7,9,12-17H,1,8,10-11H2,2-3H3,(H,30,32,34);3-8,10-11,14-18H,1,9,12-13H2,2H3,(H,31,32,33);4-6,8-9,11-15,17H,1,7,10H2,2-3H3,(H,31,33,35)/t;;;17-/m...0/s1.

What are the key properties of 1-[(2S)-4-[4-[2-fluoro-5-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)anilino]pyrimido[5,4-d]pyrimidin-6-yl]-2-methyl-3,6-dihydro-2H-pyridin-1-yl]prop-2-en-1-one;1-[4-[4-(4-imidazo[1,2-a]pyridin-7-yloxy-3-methylanilino)pyrido[3,2-d]pyrimidin-6-yl]-3,6-dihydro-2H-pyridin-1-yl]prop-2-en-1-one;1-[4-[7-methoxy-4-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)anilino]pyrido[3,2-d]pyrimidin-6-yl]-3,6-dihydro-2H-pyridin-1-yl]prop-2-en-1-one;1-[4-[4-[3-methyl-4-(1-methylindol-6-yl)oxyanilino]pyrido[3,2-d]pyrimidin-6-yl]-3,6-dihydro-2H-pyridin-1-yl]prop-2-en-1-one?

1-[(2S)-4-[4-[2-fluoro-5-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)anilino]pyrimido[5,4-d]pyrimidin-6-yl]-2-methyl-3,6-dihydro-2H-pyridin-1-yl]prop-2-en-1-one;1-[4-[4-(4-imidazo[1,2-a]pyridin-7-yloxy-3-methylanilino)pyrido[3,2-d]pyrimidin-6-yl]-3,6-dihydro-2H-pyridin-1-yl]prop-2-en-1-one;1-[4-[7-methoxy-4-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)anilino]pyrido[3,2-d]pyrimidin-6-yl]-3,6-dihydro-2H-pyridin-1-yl]prop-2-en-1-one;1-[4-[4-[3-methyl-4-(1-methylindol-6-yl)oxyanilino]pyrido[3,2-d]pyrimidin-6-yl]-3,6-dihydro-2H-pyridin-1-yl]prop-2-en-1-one has a molecular weight of 2092.31 g/mol, XLogP of 20.84, 25 rotatable bonds, 4 hydrogen bond donors, and 35 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(2S)-4-[4-[2-fluoro-5-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)anilino]pyrimido[5,4-d]pyrimidin-6-yl]-2-methyl-3,6-dihydro-2H-pyridin-1-yl]prop-2-en-1-one;1-[4-[4-(4-imidazo[1,2-a]pyridin-7-yloxy-3-methylanilino)pyrido[3,2-d]pyrimidin-6-yl]-3,6-dihydro-2H-pyridin-1-yl]prop-2-en-1-one;1-[4-[7-methoxy-4-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)anilino]pyrido[3,2-d]pyrimidin-6-yl]-3,6-dihydro-2H-pyridin-1-yl]prop-2-en-1-one;1-[4-[4-[3-methyl-4-(1-methylindol-6-yl)oxyanilino]pyrido[3,2-d]pyrimidin-6-yl]-3,6-dihydro-2H-pyridin-1-yl]prop-2-en-1-one is sourced from PubChem (CID 167633056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).